2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid

C17H14N2O2S — CID 134136283

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyAKDDYWDSHBNTAZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.97
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid

2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 134136283) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid
PubChem CID134136283
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyAKDDYWDSHBNTAZ-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid (CID 134136283) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid is O=C(O)CNc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is AKDDYWDSHBNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 134136283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).